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CAS 10471-14-4 1-ethoxy-1-methoxyethane molecular structure lightbox
CAS RN: 10471-14-4

1-ethoxy-1-methoxyethane

  • Product code: SSC-006466
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Historical Factory Record

Historical Supply Reference

This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.

  • Pack sizes on record: 1g
  • Available purity: ≥95%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
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Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 10471-14-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Beijing Inquiry

10471-14-4 / 1-ethoxy-1-methoxyethane

1-ETHOXY-1-METHOXYETHANE | Ethane, 1-ethoxy-1-methoxy- | Acetaldehyde ethyl methyl acetal

Standard CAS: 10471-14-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
10471-14-4
Multi CAS
No
Molecular Formula
C5H12O2
Molecular Weight
104.150000
Exact Mass
104.083730
SMILES
CCOC(C)OC
InChI
InChI=1S/C5H12O2/c1-4-7-5(2)6-3/h5H,4H2,1-3H3
InChIKey
MYCXIDKAJBXPCZ-UHFFFAOYSA-N
Synonyms
1-ETHOXY-1-METHOXYETHANE Ethane, 1-ethoxy-1-methoxy- Acetaldehyde ethyl methyl acetal Acetaldehyde, ethyl methyl acetal 1,1-Ethoxymethoxyethane

Computed Properties

Structural Parameters

Heavy atom count
7
Fraction Csp3
1
Rotatable bonds
3
H-bond acceptors
2
Molar refractivity
28.1
TPSA
18.46

LogP / Solubility

WLOGP
1.02
MLOGP
0.88
XLogP3
0.8
Consensus LogP
0.9
Log S (ESOL)
-0.93
Class (ESOL)
Very soluble
Log S (Ali)
-1.15
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.54
Class (SILICOS-IT)
Soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.63

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2

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